N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

C21H24N6O4S — CID 55600606

IUPACN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24N6O4S/c1-2-31-19-10-7-17(14-20(19)32(29,30)26-11-3-4-12-26)23-21(28)13-16-5-8-18(9-6-16)27-15-22-24-25-27/h5-10,14-15H,2-4,11-13H2,1H3,(H,23,28)
InChIKeyFFPBBYGCHZZHRG-UHFFFAOYSA-N
MW456.53 g/mol
LogP2.03
Rot. Bonds8

About N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55600606) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55600606
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H24N6O4S/c1-2-31-19-10-7-17(14-20(19)32(29,30)26-11-3-4-12-26)23-21(28)13-16-5-8-18(9-6-16)27-15-22-24-25-27/h5-10,14-15H,2-4,11-13H2,1H3,(H,23,28)
InChIKeyFFPBBYGCHZZHRG-UHFFFAOYSA-N
XLogP2.03
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
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3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 24620503
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
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N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(methoxymethyl)benzamide
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N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
CID 39932948
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 27881084
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55600606) is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is CCOc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is FFPBBYGCHZZHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-2-31-19-10-7-17(14-20(19)32(29,30)26-11-3-4-12-26)23-21(28)13-16-5-8-18(9-6-16)27-15-22-24-25-27/h5-10,14-15H,2-4,11-13H2,1H3,(H,23,28).
What are the key properties of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 456.53 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55600606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).